5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C22H25N3O2 — CID 2213730

IUPAC5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H25N3O2/c1-26-20-9-7-19(8-10-20)22-23-21(27-24-22)16-25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
InChIKeyNTFSTSOGNURJLS-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.20
Rot. Bonds6

About 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2213730) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID2213730
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H25N3O2/c1-26-20-9-7-19(8-10-20)22-23-21(27-24-22)16-25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
InChIKeyNTFSTSOGNURJLS-UHFFFAOYSA-N
XLogP4.20
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 2213730) is 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is NTFSTSOGNURJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-20-9-7-19(8-10-20)22-23-21(27-24-22)16-25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3.
What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 363.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2213730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).